methyl 2-[6-tert-butyl-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

methyl 2-[6-tert-butyl-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

Formula: C29H32N2O4S

SMILES: COC(=O)C1=CC=CC=C1NC(=O)C1=C(NC(=O)C2=CC=CC=C2C)SC2=C1CCC(C2)C(C)(C)C

IUPAC: methyl 2-[6-tert-butyl-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

InChI: InChI=1/C29H32N2O4S/c1-17-10-6-7-11-19(17)25(32)31-27-24(21-15-14-18(29(2,3)4)16-23(21)36-27)26(33)30-22-13-9-8-12-20(22)28(34)35-5/h6-13,18H,14-16H2,1-5H3,(H,30,33)(H,31,32)

Composition: C (69.02%), H (6.39%), N (5.55%), O (12.68%), S (6.35%)

Molar Mass: 504.65

Atom Count: 68

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	504.208278692
Formal Charge	0
FSP3	0.34
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AFPZWMQWSVTHAG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	146.05
Topological Polar Surface Area	84.5
Polarizability	54.25
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H32N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00